2-(2-aminoethyl)-3-methylpyrrol-2-amine

C7H13N3 — CID 70185474

IUPAC2-(2-aminoethyl)-3-methylpyrrol-2-amine
SMILESCC1=CC=NC1(N)CCN
InChIInChI=1S/C7H13N3/c1-6-2-5-10-7(6,9)3-4-8/h2,5H,3-4,8-9H2,1H3
InChIKeyILXHWQURLLXOAL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.02
Rot. Bonds2

About 2-(2-aminoethyl)-3-methylpyrrol-2-amine

2-(2-aminoethyl)-3-methylpyrrol-2-amine (PubChem CID 70185474) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-methylpyrrol-2-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-methylpyrrol-2-amine
PubChem CID70185474
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(2-aminoethyl)-3-methylpyrrol-2-amine
SMILESCC1=CC=NC1(N)CCN
InChIInChI=1S/C7H13N3/c1-6-2-5-10-7(6,9)3-4-8/h2,5H,3-4,8-9H2,1H3
InChIKeyILXHWQURLLXOAL-UHFFFAOYSA-N
XLogP0.02
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-methylpyrrol-2-amine?
The IUPAC name of 2-(2-aminoethyl)-3-methylpyrrol-2-amine (CID 70185474) is 2-(2-aminoethyl)-3-methylpyrrol-2-amine.
What is the SMILES notation for 2-(2-aminoethyl)-3-methylpyrrol-2-amine?
The canonical SMILES for 2-(2-aminoethyl)-3-methylpyrrol-2-amine is CC1=CC=NC1(N)CCN.
What is the InChIKey of 2-(2-aminoethyl)-3-methylpyrrol-2-amine?
The InChIKey is ILXHWQURLLXOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-2-5-10-7(6,9)3-4-8/h2,5H,3-4,8-9H2,1H3.
What are the key properties of 2-(2-aminoethyl)-3-methylpyrrol-2-amine?
2-(2-aminoethyl)-3-methylpyrrol-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-methylpyrrol-2-amine is sourced from PubChem (CID 70185474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).